Ionic bond effects on the mean excitation energy for stopping power

Wilson, John W.; Chang, C. K.; Xu, Y. J.; Kamaratos, Efstathios

doi:10.1063/1.330588

Cited by 17 publications

(3 citation statements)

References 15 publications

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“…S , is determined by the charge densities at the nuclei of the molecule of interest and the higher quality SCF values for these for HF obtained by Ransil and Sinai (125) leads to a result of S , = 16880 which is only 2% lower than our recommended value of 17220. The value of the mean excitation energy lo for HF obtained by Wilson et al (126) in the local plasma approximation (y parameter chosen to be 1.2) is only 0.8% higher than our recommended result of lo = 95.6 eV obtained from [3] and the results for S o and L o given in Table 2. A discussion of the local plasma approximation, and its limitations, can be found in Johnson and Inokuti (127).…”

Section: Hydrogen Halidescontrasting

confidence: 39%

Integrated dipole oscillator strengths and dipole properties for Ne, Ar, Kr, Xe, HF, HCl, and HBr

Kumar¹,

Meath²

1985

Can. J. Chem.

180

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This paper is dedicated to Professor Camille Sandorb on the occasion of his 65fh birfhdayASHOK KUMAR and WILLIAM J. MEATH. Can. J. Chem. 63, 161 6 (1985). Dipole oscillator strength distributions have been constructed, and used to evaluate integrated dipole oscillator strengths and a variety of dipole oscillator strength properties, for ground state Ne, Ar, Kr, Xe, HF, HCI, and HBr. Each distribution has been constructed by using experimental and theoretical photoabsorption cross sections and by subjecting the resulting dipole oscillator strength data to constraints provided by the Thomas-Reiche-Kuhn sum rule and molar refractivity or related data for the relevant dilute gases. The resulting dipole properties are generally the most or only reliable values available for the hydrogen halides, for the rare gases they largely augment reliable results for most of the properties already available in the literature. The results for HCI are used to discuss an interesting molecular effect in the photoabsorption spectrum of this molecule betwen -200 eV and -205 eV.ASHOK KUMAR et WILLIAM J. MEATH. Can. J . Chem. 63, 1616Chem. 63, (1985. On a Ctabli les distributions des forces d'oscillateurs dipolaires et on les a utilisC pour Cvaluer, pour les Ctats fondamentaux de Ne, Ar, Kr, Xe, HF, HCI et HBr, les forces intCgrCes d'oscillateurs dipolaires ainsi qu'une variCtC de propriCtCs associies avec la force d'oscillateurs dipolaires. On a Ctabli chaque distribution en faisant appel aux valeurs expCrimentales et thCoriques des sections droites de photoabsorption et en soumettant les donnCes relatives aux forces d'oscillateurs dipolaires qui en rksultent aux contraintes qui sont fournies par la regle des sommes de Thomas-Reiche-Kuhn et aux rCfractivitCs molaires ou aux donnCes apparentCs pour les gaz diluCs appropriCs. Dans le cas des halogenures d'hydrogene, les propriCtCs dipolaires qui en rksultent sont gCnCralement les seules valeurs disponibles ou les plus fiables; pour les gaz rares, les risultats fiables sont grandement augmentCs pour la plupart des propriCtCs qui sont dCja disponibles dans la litterature. On a utilisC les rCsultats obtenus avec le HCI pour discuter d'un effet molCculaire intkressant dans le spectre de photoabsorption de cette molCcule entre environ 200 et 205 eV.[Traduit par le journal]

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Section: Hydrogen Halidescontrasting

confidence: 39%

Integrated dipole oscillator strengths and dipole properties for Ne, Ar, Kr, Xe, HF, HCl, and HBr

Kumar¹,

Meath²

1985

Can. J. Chem.

180

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“…In view of the encouraging results that have been obtained so far by various investigators57, 58,191,[193][194][195][196]199 with eq 44 of the local plasma model, it is plausible to expect further work to explain its success. It has already been pointed out by Inokuti and co-workers176 that there may be an analytical quantitative derivation of eq 44.…”

Section: Further Researchmentioning

confidence: 99%

The mean excitation energy for stopping power I, the Bragg rule, and chemical and phase effects. Application of a statistical treatment to the determination of I for chemically bound particles

Kamaratos¹

1984

Chem. Rev.

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“…Mean excitation energies have been calculated from the local plasma approximation (LPA) [ 2 ] , but the electron densities p ( 7 ) were estimated roughly from the ~( 7 ) s of corresponding atomic neutral states and ionic bond parameters. Some experimental stopping results for LiF are also known (that of Bader et al [3] is rather old; Biersack et al…”

Section: Introductionmentioning

confidence: 99%

Electronic stopping power for protons in an LiF monolayer

Trickey

Sabin

1993

Int. J. Quantum Chem.

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In our previous work, the stopping properties of metallic and covalent films were investigated. Here we consider an ionically bound film. The energy loss of a proton in an LiF monolayer (LiF-1L) is calculated in orbital fashion, based on kinetic theory. The required momentum density and mean excitation energy are obtained from the local density approximation and local plasma approximation respectively. For comparison, the LiF molecule is treated by use of a large intermolecular distance in the film. We find the stopping cross section of the LiF molecule to be only slightly larger than that for the LiF-IL. The Bra= rule (additivity of stopping for the corresponding atoms) is not valid for the ionically bound molecule nor the corresponding extended system, but may be valid if additivity of stopping of atomic ions is assumed. 0

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Ionic bond effects on the mean excitation energy for stopping power

Abstract: Molecular mean excitation energies for ionic bonded molecules calculated according to the local plasma approximation are compared to the Bragg rule. Adjustments of 15% are calculated for LiF in agreement with experiments while 6% adjustments are predicted for HF and 3% for LiH.

Cited by 17 publications

References 15 publications

Integrated dipole oscillator strengths and dipole properties for Ne, Ar, Kr, Xe, HF, HCl, and HBr

Integrated dipole oscillator strengths and dipole properties for Ne, Ar, Kr, Xe, HF, HCl, and HBr

The mean excitation energy for stopping power I, the Bragg rule, and chemical and phase effects. Application of a statistical treatment to the determination of I for chemically bound particles

Electronic stopping power for protons in an LiF monolayer

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